(2S)-4-methyl-2-[(phenylmethylsulfanyl)carbonylamino]pentanoic acid

Systemtic Name: (2S)-4-methyl-2-[(phenylmethylsulfanyl)carbonylamino]pentanoic acid Openeye Name: (2S)-2-(benzylsulfanylcarbonylamino)-4-methyl-pentanoic acid CAS Name: (2S)-4-methyl-2-[[oxo-(phenylmethylthio)methyl]amino]pentanoic acid IUPAC Name: (2S)-2-(benzylsulfanylcarbonylamino)-4-methylpentanoic acid Traditional Name: (2S)-2-[(benzylthio)carbonylamino]-4-methyl-valeric acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)SCC1=CC=CC=C1

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)SCC1=CC=CC=C1

InChI

InChI=1S/C14H19NO3S/c1-10(2)8-12(13(16)17)15-14(18)19-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,18)(H,16,17)/t12-/m0/s1